NOREC, a Monte Carlo code for simulating electron tracks in liquid water

The work reported here was originally motivated by a discussion of Monte Carlo computer codes for electron transport in water given in Report No. 130 by the National Council on Radiation Protection and Measurements (NCRP). It was pointed out (correctly) that a published depth-dose distribution calculated by the Oak Ridge electron transport code, OREC, for 800 keV electrons normally incident on a water slab was apparently in error, possibly due to inadequate treatment of elastic scattering. In this paper we describe the replacement of the original OREC elastic cross sections by current ones from the National Institute of Standards and Technology (NIST). This investigation led also to the critical examination and revision of some other parts of the program, as described here. The revised code, which we have renamed NOREC, represents the first substantial review and modification of the Oak Ridge code in a number of years. We also present some comparisons of results calculated with the old and new versions and discuss their implications with respect to earlier studies. We have also written a version of NOREC in C++ language, which is available to other investigators. This paper provides a record of a response to the NCRP published statement and documentation for the revised code, NOREC.

[1]  Martin J. Berger,et al.  Elastic Scattering of Electrons and Positrons by Atoms: Database ELAST , 1993 .

[2]  J. Desclaux.  A multiconfiguration relativistic DIRAC-FOCK program , 1984 .

[3]  Herwig G. Paretzke,et al.  Electron inelastic-scattering cross sections in liquid water , 1999 .

[4]  D T Goodhead,et al.  Track structure in radiation biology: theory and applications. , 1998, International journal of radiation biology.

[5]  Merle E. Riley,et al.  Theoretical electron-atom elastic scattering cross sections , 1975 .

[6]  J. E. Turner,et al.  Radiation Interactions and Energy Transport in the Condensed Phase , 1991 .

[7]  R. K. Bull,et al.  Stopping powers for electrons and positrons: ICRU Report 37; 271 pp.; 24 figures; U.S. $24.00. , 1986 .

[8]  W E Bolch,et al.  Monte Carlo track-structure calculations for aqueous solutions containing biomolecules. , 1994, Basic life sciences.

[9]  J. B. Mann,et al.  Self-consistent relativistic Dirac-Hartree-Fock calculations of lanthanide atoms , 1973 .

[10]  N. Richards,et al.  Site-Specific OH Attack to the Sugar Moiety of DNA: A Comparison of Experimental Data and Computational Simulation , 2002, Radiation research.

[11]  Stephen M. Seltzer,et al.  Electron-photon Monte Carlo calculations: The ETRAN code , 1991 .

[12]  W. Nelson,et al.  Monte Carlo Transport of Electrons and Photons , 1988 .

[13]  D. Goodhead,et al.  Comparison and assessment of electron cross sections for Monte Carlo track structure codes. , 1999, Radiation research.

[14]  J. B. Mann.  SCF Hartree-Fock results for elements with two open shells and the elements francium to nobelium , 1973 .

[15]  S. Seltzer,et al.  Monte Carlo and Analytic Methods in the Transport of Electrons, Neutrons, and Alpha Particles , 1994 .

[16]  J. Hammersley,et al.  Monte Carlo Methods , 1965 .

[17]  J. W. Osborne,et al.  Biological Effects and Exposure Limits for 'Hot Particles,' , 1999 .

[18]  J. Turner,et al.  Product yields from irradiated glycylglycine in oxygen-free solutions: Monte Carlo simulations and comparison with experiments , 1998, Radiation and environmental biophysics.

[19]  J. Turner,et al.  Monte Carlo calculations of free ammonia production in deoxygenated solutions of glycylglycine irradiated by X rays and 60Co gamma rays. , 1990, Radiation research.

[20]  R. H. Ritchie,et al.  Radiation damage to a biomolecule: new physical model successfully traces molecular events. , 1991, International journal of radiation applications and instrumentation. Part A, Applied radiation and isotopes.

[21]  M. Varma,et al.  Computational Approaches in Molecular Radiation Biology , 1994, Basic Life Sciences.

[22]  H. Paretzke,et al.  Monte Carlo simulation of the production of short DNA fragments by low-linear energy transfer radiation using higher-order DNA models. , 1998, Radiation research.